#------------------------------------------------------------------------------
#$Date: 2017-02-04 14:47:31 +0100 (Sat 04 de Feb de 2017) $
#$Revision: 191584 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/12/7041251.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7041251
loop_
_publ_author_name
'Deka, Banashree'
'Sarkar, Tukki'
'Banerjee, Samya'
'Kumar, Arun'
'Mukherjee, Sanjoy'
'Deka, Sasanka'
'Saikia, Kandarpa K.'
'Hussain, Akhtar'
_publ_section_title
;
 Novel mitochondria targeted copper(ii) complexes of ferrocenyl
 terpyridine and anticancer active 8-hydroxyquinolines showing remarkable
 cytotoxicity, DNA and protein binding affinity.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              396
_journal_page_last               409
_journal_paper_doi               10.1039/c6dt03660k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C25 H19 Cu0.5 F6 Fe N3.5 O3 P'
_chemical_formula_sum            'C25 H19 Cu0.5 F6 Fe N3.5 O3 P'
_chemical_formula_weight         649.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-02-29 deposited with the CCDC.
2016-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.893(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.6437(12)
_cell_length_b                   19.8816(12)
_cell_length_c                   12.8082(8)
_cell_measurement_reflns_used    6916
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.53
_cell_measurement_theta_min      2.60
_cell_volume                     5491.4(6)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart CCD Area Detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30726
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.125
_diffrn_reflns_theta_min         1.393
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_T_max  0.7602
_exptl_absorpt_correction_T_min  0.6111
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_description       Block
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         8055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1135
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0928P)²+5.6619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.1930
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4518
_reflns_number_total             8055
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt03660k2.cif
_cod_data_source_block           RScAdv_5
_cod_depositor_comments          'Adding full bibliography for 7041251.cif.'
_cod_database_code               7041251
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.593
_shelx_estimated_absorpt_t_max   0.759
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cu1 Cu 0.0000 0.20969(3) 0.7500 0.04852(18) Uani 1 2 d S T P
Fe1 Fe 0.18905(2) 0.23015(3) 1.28350(4) 0.05638(18) Uani 1 1 d . . .
P1 P 0.31383(6) 0.04582(6) 0.05603(9) 0.0735(3) Uani 1 1 d . . .
N2 N 0.04464(12) 0.20545(12) 0.89076(19) 0.0440(5) Uani 1 1 d . . .
N1 N -0.04511(13) 0.28867(15) 0.8339(2) 0.0566(7) Uani 1 1 d . . .
C1 C -0.08785(19) 0.3333(2) 0.7977(4) 0.0751(11) Uani 1 1 d . . .
H1 H -0.1004 0.3331 0.7264 0.090 Uiso 1 1 calc R U .
C2 C -0.1139(2) 0.3788(3) 0.8594(5) 0.0957(16) Uani 1 1 d . . .
H2 H -0.1436 0.4089 0.8312 0.115 Uiso 1 1 calc R U .
C3 C -0.0953(3) 0.3792(3) 0.9637(5) 0.118(2) Uani 1 1 d . . .
H3 H -0.1129 0.4090 1.0086 0.142 Uiso 1 1 calc R U .
C4 C -0.0504(3) 0.3349(2) 1.0016(4) 0.0941(16) Uani 1 1 d . . .
H4 H -0.0369 0.3348 1.0725 0.113 Uiso 1 1 calc R U .
C5 C -0.02531(17) 0.29070(18) 0.9351(3) 0.0563(8) Uani 1 1 d . . .
C6 C 0.02499(15) 0.24281(16) 0.9692(3) 0.0478(7) Uani 1 1 d . . .
C7 C 0.05025(16) 0.23579(17) 1.0709(2) 0.0512(7) Uani 1 1 d . . .
H7 H 0.0364 0.2628 1.1234 0.061 Uiso 1 1 calc R U .
C8 C 0.09633(15) 0.18847(16) 1.0952(2) 0.0473(7) Uani 1 1 d . . .
C16 C 0.12040(16) 0.17636(17) 1.2041(3) 0.0532(8) Uani 1 1 d . . .
C20 C 0.09879(19) 0.2076(2) 1.2950(3) 0.0667(10) Uani 1 1 d . . .
H20 H 0.0666 0.2386 1.2954 0.080 Uiso 1 1 calc R U .
C22 C 0.2687(2) 0.2570(3) 1.2202(4) 0.0905(14) Uani 1 1 d . . .
H22 H 0.2920 0.2296 1.1798 0.109 Uiso 1 1 calc R U .
C21 C 0.2195(3) 0.2993(3) 1.1829(5) 0.1011(18) Uani 1 1 d . . .
H21 H 0.2045 0.3046 1.1131 0.121 Uiso 1 1 calc R U .
C25 C 0.1970(3) 0.3320(3) 1.2690(6) 0.1013(17) Uani 1 1 d . . .
H25 H 0.1645 0.3627 1.2664 0.122 Uiso 1 1 calc R U .
C24 C 0.2320(3) 0.3103(3) 1.3590(5) 0.0980(16) Uani 1 1 d . . .
H24 H 0.2271 0.3242 1.4271 0.118 Uiso 1 1 calc R U .
C23 C 0.2760(2) 0.2639(3) 1.3290(4) 0.0886(14) Uani 1 1 d . . .
H23 H 0.3051 0.2415 1.3740 0.106 Uiso 1 1 calc R U .
C18 C 0.1787(2) 0.1377(2) 1.3505(3) 0.0748(11) Uani 1 1 d . . .
H18 H 0.2080 0.1144 1.3938 0.090 Uiso 1 1 calc R U .
C19 C 0.1350(2) 0.1830(3) 1.3839(3) 0.0769(12) Uani 1 1 d . . .
H19 H 0.1306 0.1950 1.4531 0.092 Uiso 1 1 calc R U .
C17 C 0.17068(19) 0.13305(18) 1.2399(3) 0.0623(9) Uani 1 1 d . . .
H17 H 0.1939 0.1066 1.1980 0.075 Uiso 1 1 calc R U .
C9 C 0.11709(15) 0.15100(16) 1.0122(2) 0.0495(7) Uani 1 1 d . . .
H9 H 0.1486 0.1195 1.0250 0.059 Uiso 1 1 calc R U .
C10 C 0.09065(13) 0.16095(15) 0.9116(2) 0.0440(6) Uani 1 1 d . . .
C11 C 0.10937(14) 0.12448(15) 0.8176(2) 0.0449(7) Uani 1 1 d . . .
N3 N 0.07273(12) 0.13599(14) 0.7298(2) 0.0512(6) Uani 1 1 d . . .
C15 C 0.08729(19) 0.1061(2) 0.6409(3) 0.0640(9) Uani 1 1 d . . .
H15 H 0.0622 0.1137 0.5794 0.077 Uiso 1 1 calc R U .
C14 C 0.1377(2) 0.0651(2) 0.6377(3) 0.0712(11) Uani 1 1 d . . .
H14 H 0.1465 0.0450 0.5751 0.085 Uiso 1 1 calc R U .
C13 C 0.17524(19) 0.05366(19) 0.7274(3) 0.0673(10) Uani 1 1 d . . .
H13 H 0.2099 0.0261 0.7264 0.081 Uiso 1 1 calc R U .
C12 C 0.16102(16) 0.08353(18) 0.8192(3) 0.0559(8) Uani 1 1 d . . .
H12 H 0.1857 0.0763 0.8812 0.067 Uiso 1 1 calc R U .
O2 O 0.0000 0.6382(3) 0.7500 0.1021(16) Uani 1 2 d S T P
N4 N 0.0000 0.5794(5) 0.7500 0.129(3) Uani 1 2 d S T P
F4 F 0.3202(2) 0.0424(2) -0.0628(3) 0.1516(16) Uani 1 1 d . . .
F3 F 0.38267(17) 0.0310(3) 0.0763(4) 0.187(2) Uani 1 1 d . . .
F2 F 0.30490(18) 0.0505(3) 0.1764(2) 0.1476(16) Uani 1 1 d . . .
F6 F 0.3286(5) 0.1206(2) 0.0606(4) 0.257(4) Uani 1 1 d . . .
F1 F 0.2441(2) 0.0582(4) 0.0380(3) 0.237(4) Uani 1 1 d . . .
F5 F 0.2993(3) -0.0295(2) 0.0549(5) 0.194(2) Uani 1 1 d . . .
O1 O -0.0362(6) 0.5360(6) 0.8223(10) 0.349(7) Uani 1 1 d . . .
O4 O 0.0000 0.0447(7) 0.2500 0.265(10) Uani 1 2 d S T P
O3 O 0.0141(8) 0.0288(7) 0.3943(18) 0.450(14) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Cu1 N2 175.11(15) 2_556 .
N2 Cu1 N1 77.60(10) 2_556 2_556
N2 Cu1 N1 106.03(11) . 2_556
N2 Cu1 N1 106.03(11) 2_556 .
N2 Cu1 N1 77.60(10) . .
N1 Cu1 N1 87.84(16) 2_556 .
N2 Cu1 N3 77.14(10) 2_556 2_556
N2 Cu1 N3 99.51(10) . 2_556
N1 Cu1 N3 154.15(10) 2_556 2_556
N1 Cu1 N3 93.87(11) . 2_556
N2 Cu1 N3 99.51(10) 2_556 .
N2 Cu1 N3 77.14(10) . .
N1 Cu1 N3 93.87(11) 2_556 .
N1 Cu1 N3 154.15(10) . .
N3 Cu1 N3 95.63(15) 2_556 .
C20 Fe1 C16 41.40(14) . .
C20 Fe1 C21 124.3(2) . .
C16 Fe1 C21 107.52(18) . .
C20 Fe1 C23 158.07(19) . .
C16 Fe1 C23 159.29(19) . .
C21 Fe1 C23 67.5(2) . .
C20 Fe1 C22 160.4(2) . .
C16 Fe1 C22 123.08(18) . .
C21 Fe1 C22 40.5(2) . .
C23 Fe1 C22 40.1(2) . .
C20 Fe1 C19 40.78(16) . .
C16 Fe1 C19 68.90(15) . .
C21 Fe1 C19 161.0(3) . .
C23 Fe1 C19 122.4(2) . .
C22 Fe1 C19 157.2(2) . .
C20 Fe1 C17 69.09(17) . .
C16 Fe1 C17 41.20(15) . .
C21 Fe1 C17 122.2(2) . .
C23 Fe1 C17 122.95(19) . .
C22 Fe1 C17 106.9(2) . .
C19 Fe1 C17 68.22(18) . .
C20 Fe1 C25 108.4(2) . .
C16 Fe1 C25 122.69(19) . .
C21 Fe1 C25 40.3(2) . .
C23 Fe1 C25 67.4(2) . .
C22 Fe1 C25 67.8(2) . .
C19 Fe1 C25 124.8(2) . .
C17 Fe1 C25 158.4(2) . .
C20 Fe1 C24 122.8(2) . .
C16 Fe1 C24 158.4(2) . .
C21 Fe1 C24 67.3(2) . .
C23 Fe1 C24 40.2(2) . .
C22 Fe1 C24 67.5(2) . .
C19 Fe1 C24 108.8(2) . .
C17 Fe1 C24 159.5(2) . .
C25 Fe1 C24 39.8(2) . .
C20 Fe1 C18 68.26(19) . .
C16 Fe1 C18 68.65(15) . .
C21 Fe1 C18 157.7(3) . .
C23 Fe1 C18 107.9(2) . .
C22 Fe1 C18 121.9(2) . .
C19 Fe1 C18 40.02(18) . .
C17 Fe1 C18 40.51(15) . .
C25 Fe1 C18 160.2(2) . .
C24 Fe1 C18 124.2(2) . .
F3 P1 F6 89.1(5) . .
F3 P1 F1 177.7(4) . .
F6 P1 F1 92.9(5) . .
F3 P1 F5 90.5(3) . .
F6 P1 F5 178.3(3) . .
F1 P1 F5 87.5(4) . .
F3 P1 F4 89.5(3) . .
F6 P1 F4 92.6(3) . .
F1 P1 F4 91.6(2) . .
F5 P1 F4 89.0(3) . .
F3 P1 F2 92.6(2) . .
F6 P1 F2 86.9(3) . .
F1 P1 F2 86.3(2) . .
F5 P1 F2 91.5(3) . .
F4 P1 F2 177.9(2) . .
C10 N2 C6 119.4(3) . .
C10 N2 Cu1 120.5(2) . .
C6 N2 Cu1 119.8(2) . .
C5 N1 C1 118.3(3) . .
C5 N1 Cu1 112.4(2) . .
C1 N1 Cu1 129.3(3) . .
N1 C1 C2 123.4(4) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C1 C2 C3 118.3(4) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C2 C3 C4 119.0(5) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 120.0(5) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
N1 C5 C4 120.9(4) . .
N1 C5 C6 115.7(3) . .
C4 C5 C6 123.3(3) . .
N2 C6 C7 121.6(3) . .
N2 C6 C5 113.9(3) . .
C7 C6 C5 124.5(3) . .
C6 C7 C8 120.1(3) . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C7 C8 C9 117.4(3) . .
C7 C8 C16 121.0(3) . .
C9 C8 C16 121.5(3) . .
C17 C16 C20 107.0(3) . .
C17 C16 C8 127.0(3) . .
C20 C16 C8 126.0(3) . .
C17 C16 Fe1 69.7(2) . .
C20 C16 Fe1 68.9(2) . .
C8 C16 Fe1 125.1(2) . .
C19 C20 C16 107.9(4) . .
C19 C20 Fe1 70.2(2) . .
C16 C20 Fe1 69.7(2) . .
C19 C20 H20 126.0 . .
C16 C20 H20 126.0 . .
Fe1 C20 H20 125.6 . .
C23 C22 C21 107.4(5) . .
C23 C22 Fe1 69.9(3) . .
C21 C22 Fe1 69.6(3) . .
C23 C22 H22 126.3 . .
C21 C22 H22 126.3 . .
Fe1 C22 H22 125.8 . .
C25 C21 C22 108.2(5) . .
C25 C21 Fe1 70.3(3) . .
C22 C21 Fe1 69.9(3) . .
C25 C21 H21 125.9 . .
C22 C21 H21 125.9 . .
Fe1 C21 H21 125.5 . .
C24 C25 C21 107.9(5) . .
C24 C25 Fe1 70.2(3) . .
C21 C25 Fe1 69.5(3) . .
C24 C25 H25 126.1 . .
C21 C25 H25 126.1 . .
Fe1 C25 H25 125.8 . .
C25 C24 C23 108.1(5) . .
C25 C24 Fe1 69.9(3) . .
C23 C24 Fe1 69.5(3) . .
C25 C24 H24 125.9 . .
C23 C24 H24 125.9 . .
Fe1 C24 H24 126.2 . .
C22 C23 C24 108.3(5) . .
C22 C23 Fe1 70.0(3) . .
C24 C23 Fe1 70.3(3) . .
C22 C23 H23 125.8 . .
C24 C23 H23 125.8 . .
Fe1 C23 H23 125.5 . .
C19 C18 C17 108.7(4) . .
C19 C18 Fe1 69.6(3) . .
C17 C18 Fe1 69.4(2) . .
C19 C18 H18 125.7 . .
C17 C18 H18 125.7 . .
Fe1 C18 H18 127.0 . .
C18 C19 C20 108.6(4) . .
C18 C19 Fe1 70.4(2) . .
C20 C19 Fe1 69.0(2) . .
C18 C19 H19 125.7 . .
C20 C19 H19 125.7 . .
Fe1 C19 H19 126.5 . .
C18 C17 C16 107.8(4) . .
C18 C17 Fe1 70.1(2) . .
C16 C17 Fe1 69.1(2) . .
C18 C17 H17 126.1 . .
C16 C17 H17 126.1 . .
Fe1 C17 H17 126.2 . .
C10 C9 C8 119.8(3) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
N2 C10 C9 121.5(3) . .
N2 C10 C11 114.1(3) . .
C9 C10 C11 124.4(3) . .
N3 C11 C12 122.2(3) . .
N3 C11 C10 114.4(3) . .
C12 C11 C10 123.4(3) . .
C11 N3 C15 118.1(3) . .
C11 N3 Cu1 113.4(2) . .
C15 N3 Cu1 128.3(2) . .
N3 C15 C14 122.3(4) . .
N3 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
C15 C14 C13 119.5(3) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C14 C13 C12 119.1(3) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C13 C12 C11 118.8(3) . .
C13 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
O2 N4 O1 124.3(6) . 2_556
O2 N4 O1 124.3(6) . .
O1 N4 O1 111.4(13) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.973(3) 2_556
Cu1 N2 1.973(3) .
Cu1 N1 2.180(3) 2_556
Cu1 N1 2.180(3) .
Cu1 N3 2.182(3) 2_556
Cu1 N3 2.182(3) .
Fe1 C20 2.022(4) .
Fe1 C16 2.032(3) .
Fe1 C21 2.032(5) .
Fe1 C23 2.036(5) .
Fe1 C22 2.037(5) .
Fe1 C19 2.038(4) .
Fe1 C17 2.039(4) .
Fe1 C25 2.042(5) .
Fe1 C24 2.046(5) .
Fe1 C18 2.050(4) .
P1 F3 1.519(4) .
P1 F6 1.522(5) .
P1 F1 1.526(4) .
P1 F5 1.531(4) .
P1 F4 1.541(3) .
P1 F2 1.573(3) .
N2 C10 1.342(4) .
N2 C6 1.347(4) .
N1 C5 1.330(4) .
N1 C1 1.335(5) .
C1 C2 1.355(7) .
C1 H1 0.9300 .
C2 C3 1.362(7) .
C2 H2 0.9300 .
C3 C4 1.370(7) .
C3 H3 0.9300 .
C4 C5 1.367(5) .
C4 H4 0.9300 .
C5 C6 1.484(5) .
C6 C7 1.377(5) .
C7 C8 1.387(5) .
C7 H7 0.9300 .
C8 C9 1.403(4) .
C8 C16 1.466(4) .
C16 C17 1.432(5) .
C16 C20 1.433(5) .
C20 C19 1.414(6) .
C20 H20 0.9300 .
C22 C23 1.396(7) .
C22 C21 1.408(8) .
C22 H22 0.9300 .
C21 C25 1.402(8) .
C21 H21 0.9300 .
C25 C24 1.393(8) .
C25 H25 0.9300 .
C24 C23 1.404(7) .
C24 H24 0.9300 .
C23 H23 0.9300 .
C18 C19 1.399(6) .
C18 C17 1.415(5) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C17 H17 0.9300 .
C9 C10 1.379(4) .
C9 H9 0.9300 .
C10 C11 1.490(4) .
C11 N3 1.339(4) .
C11 C12 1.382(5) .
N3 C15 1.346(4) .
C15 C14 1.367(6) .
C15 H15 0.9300 .
C14 C13 1.368(6) .
C14 H14 0.9300 .
C13 C12 1.375(5) .
C13 H13 0.9300 .
C12 H12 0.9300 .
O2 N4 1.169(9) .
N4 O1 1.528(9) 2_556
N4 O1 1.528(9) .
